CID 54631

Benzamidine, n-(o-(2-(diisopropylamino)ethoxy)phenyl)-n'-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C27H33N3O
SMILES
CC(C)N(CCOC1=CC=CC=C1N=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H33N3O/c1-21(2)30(22(3)4)19-20-31-26-18-12-11-17-25(26)29-27(23-13-7-5-8-14-23)28-24-15-9-6-10-16-24/h5-18,21-22H,19-20H2,1-4H3,(H,28,29)
InChIKey
STVQLOMFRSNCIN-UHFFFAOYSA-N
Compound name
N'-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.26236 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26964 208.4
[M+Na]+ 438.25158 220.3
[M+NH4]+ 433.29618 215.7
[M+K]+ 454.22552 211.4
[M-H]- 414.25508 217.0
[M+Na-2H]- 436.23703 218.7
[M]+ 415.26181 212.5
[M]- 415.26291 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.